4-[(2,4-dimethylphenyl)amino]-7-[5-[(pyridin-4-ylmethylamino)methyl]thiophen-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[5-[(pyridin-4-ylmethylamino)methyl]thiophen-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[5-[(4-pyridylmethylamino)methyl]-2-thienyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[5-[(pyridin-4-ylmethylamino)methyl]-2-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[5-[(pyridin-4-ylmethylamino)methyl]thiophen-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[5-[(4-pyridylmethylamino)methyl]-2-thienyl]quinoline-3-carbonitrile Formula: C29H25N5S MolecularWeight: 475.6073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(S4)CNCC5=CC=NC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(S4)CNCC5=CC=NC=C5)C

InChI

InChI=1S/C29H25N5S/c1-19-3-7-26(20(2)13-19)34-29-23(15-30)17-33-27-14-22(4-6-25(27)29)28-8-5-24(35-28)18-32-16-21-9-11-31-12-10-21/h3-14,17,32H,16,18H2,1-2H3,(H,33,34)